N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine

C13H24N2 — CID 66411473

IUPACN-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cccn1CCC
InChIInChI=1S/C13H24N2/c1-3-5-6-9-14-12-13-8-7-11-15(13)10-4-2/h7-8,11,14H,3-6,9-10,12H2,1-2H3
InChIKeyCRKAWARWTNKXAQ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.18
Rot. Bonds8

About N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine

N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine (PubChem CID 66411473) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
PubChem CID66411473
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cccn1CCC
InChIInChI=1S/C13H24N2/c1-3-5-6-9-14-12-13-8-7-11-15(13)10-4-2/h7-8,11,14H,3-6,9-10,12H2,1-2H3
InChIKeyCRKAWARWTNKXAQ-UHFFFAOYSA-N
XLogP3.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine
CID 4537540
4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
CID 66443821
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
N-[(1-methylpyrrol-2-yl)methyl]octan-1-amine;hydrochloride
CID 17331302
N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
CID 114139714
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467
N'-[(1-ethylpyrrol-2-yl)methyl]butane-1,4-diamine
CID 66411172
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine (CID 66411473) is N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine is CCCCCNCc1cccn1CCC.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine?
The InChIKey is CRKAWARWTNKXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-6-9-14-12-13-8-7-11-15(13)10-4-2/h7-8,11,14H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine?
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 66411473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).